CID 13492185

2-fluoro-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9FO
SMILES
CC(=C(CO)F)C
InChI
InChI=1S/C5H9FO/c1-4(2)5(6)3-7/h7H,3H2,1-2H3
InChIKey
JPTSQZOXYWIQIW-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

104.06374 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 119.5
[M+Na]+ 127.05296 126.7
[M-H]- 103.05646 117.4
[M+NH4]+ 122.09756 142.0
[M+K]+ 143.02690 126.2
[M+H-H2O]+ 87.061000 114.9
[M+HCOO]- 149.06194 139.5
[M+CH3COO]- 163.07759 166.3
[M+Na-2H]- 125.03841 123.6
[M]+ 104.06319 116.6
[M]- 104.06429 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe